Absolute Hydration Free Energy Scale for Alkali and Halide Ions Established from Simulations with a Polarizable Force Field-Reference-Cited by-同舟云学术

Absolute Hydration Free Energy Scale for Alkali and Halide Ions Established from Simulations with a Polarizable Force Field

Published:2006-01-27 Issue:7 Volume:110 Page:3308-3322
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Lamoureux Guillaume¹,Roux Benoît¹

Affiliation:

1. Département de physique, Université de Montréal, C.P. 6128, succ. centre-ville, Montréal, Québec H3C 3J7, Canada, and Department of Biochemistry, Weill Medical College of Cornell University, 1300 York Avenue, New York, New York 10021

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp056043p

Reference133 articles.

1. Water–water and water–ion potential functions including terms for many body effects

2. Solvent polarization and hydration of the chlorine anion

3. Ion solvation in polarizable water: molecular dynamics simulations

4. Non-additivity in cation—peptide interactions. A molecular dynamics and ab initio study of Na+ in the gramicidin channel

5. Effects of Polarizability on the Hydration of the Chloride Ion

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